CID 445967

1-amino-6-cyclohex-3-enylmethyloxypurine

Structural Information

Molecular Formula
C13H18N4O
SMILES
C1CCC(CC1)COC2=C3C(=CC(=N2)N)NC=N3
InChI
InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)
InChIKey
VPUIDVRYMVIXGO-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

246.14806 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 154.8
[M+Na]+ 269.13728 161.7
[M-H]- 245.14078 156.4
[M+NH4]+ 264.18188 169.5
[M+K]+ 285.11122 156.6
[M+H-H2O]+ 229.14532 145.5
[M+HCOO]- 291.14626 172.5
[M+CH3COO]- 305.16191 165.2
[M+Na-2H]- 267.12273 159.5
[M]+ 246.14751 150.6
[M]- 246.14861 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe